SCHEMBL1855148

SCHEMBL1855148

COC(=O)[C@H](C)N(C=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
FFAR2 O15552 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31016233 0.83 KMT2A (0.50) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL6404489 0.77 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2278952 0.75 MAPK1 (0.54) ALDH1A1USP2KMT2AMAPTMEN1
SCHEMBL11201182 0.74 FFAR2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL22828122 0.74 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7479440 0.72 MT-CO2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7479568 0.72 MT-CO2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2423106 0.69 FFAR2 (0.64) ALDH1A1L3MBTL1FFAR2KMT2AMEN1
SCHEMBL1679062 0.68 L3MBTL1 (0.54) L3MBTL1FFAR2
SCHEMBL11168520 0.68 CYP1A2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 CHRNB2 3918/4885CHRNB4 2566/4885CHRNA3 3108/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 CHRNB2 3918/4885CHRNB4 2566/4885CHRNA3 3108/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CHRNB2 3736/4885CHRNB4 3129/4885CHRNA3 3068/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.